ChemSpider 2D Image | 2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-propene-1,1-diol | C15H11I4NO4

2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-propene-1,1-diol

  • Molecular FormulaC15H11I4NO4
  • Average mass776.870 Da
  • Monoisotopic mass776.686646 Da
  • ChemSpider ID95668503

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Propene-1,1-diol, 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]- [ACD/Index Name]
2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-propene-1,1-diol [ACD/IUPAC Name]
2-Amino-3-[4-(4-hydroxy-3,5-diiodophénoxy)-3,5-diiodophényl]-1-propène-1,1-diol [French] [ACD/IUPAC Name]
2-Amino-3-[4-(4-hydroxy-3,5-diiodphenoxy)-3,5-diiodphenyl]-1-propen-1,1-diol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.7±0.1 g/cm3
Boiling Point: 606.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.6±31.5 °C
Index of Refraction: 1.833
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5051.24
ACD/KOC (pH 5.5): 15354.58
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1284.38
ACD/KOC (pH 7.4): 3904.21
Polar Surface Area: 96 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 85.0±3.0 dyne/cm
Molar Volume: 288.0±3.0 cm3

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